(5-bromo-3-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine

C13H17BrN4O — CID 114658293

IUPAC(5-bromo-3-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
SMILESCCCn1ncc(OC)c1C(N)c1cncc(Br)c1
InChIInChI=1S/C13H17BrN4O/c1-3-4-18-13(11(19-2)8-17-18)12(15)9-5-10(14)7-16-6-9/h5-8,12H,3-4,15H2,1-2H3
InChIKeyBUFSPIPBIPGHGA-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.51
Rot. Bonds5

About (5-bromo-3-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine

(5-bromo-3-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine (PubChem CID 114658293) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
PubChem CID114658293
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC Name(5-bromo-3-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
SMILESCCCn1ncc(OC)c1C(N)c1cncc(Br)c1
InChIInChI=1S/C13H17BrN4O/c1-3-4-18-13(11(19-2)8-17-18)12(15)9-5-10(14)7-16-6-9/h5-8,12H,3-4,15H2,1-2H3
InChIKeyBUFSPIPBIPGHGA-UHFFFAOYSA-N
XLogP2.51
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxy-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanamine
CID 105187163
(3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048688
(5-bromo-3-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114658286
(4-bromo-3-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048875
(4,5-dibromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048739
(3-fluoro-5-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 114659181
(4,5-dimethylthiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048908
(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine
CID 114877837
2-(3-bromophenyl)sulfanyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
CID 114656350
(4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine
CID 105041471
(4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanamine
CID 114652255
(4-methoxy-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methanamine
CID 105187158

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
The IUPAC name of (5-bromo-3-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine (CID 114658293) is (5-bromo-3-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine.
What is the SMILES notation for (5-bromo-3-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
The canonical SMILES for (5-bromo-3-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine is CCCn1ncc(OC)c1C(N)c1cncc(Br)c1.
What is the InChIKey of (5-bromo-3-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
The InChIKey is BUFSPIPBIPGHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c1-3-4-18-13(11(19-2)8-17-18)12(15)9-5-10(14)7-16-6-9/h5-8,12H,3-4,15H2,1-2H3.
What are the key properties of (5-bromo-3-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
(5-bromo-3-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine has a molecular weight of 325.21 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine is sourced from PubChem (CID 114658293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).